As2O7Sr2
As2O7Sr2 is a thermodynamically stable, insulating inorganic compound containing strontium, arsenic, and oxygen.
About As2O7Sr2
As2O7Sr2 is a complex inorganic compound composed of arsenic, oxygen, and strontium. As a wide-band-gap insulator, it exhibits robust electronic properties that make it a subject of interest for fundamental materials research.
Because it sits on the convex hull, this compound is considered thermodynamically stable. Its existence across multiple reported structures highlights its structural versatility and potential for further investigation in solid-state chemistry.
Key Properties
Cross-validated computational properties for As2O7Sr2, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of As2O7Sr2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Frequently Asked Questions
Common questions about As2O7Sr2, answered from cross-validated data.
What is As2O7Sr2?
As2O7Sr2 is a thermodynamically stable, insulating inorganic compound containing strontium, arsenic, and oxygen.
What is the band gap of As2O7Sr2?
Is As2O7Sr2 a metal, semiconductor, or insulator?
Is As2O7Sr2 thermodynamically stable?
How many polymorphs of As2O7Sr2 are known?
What elements does As2O7Sr2 contain?
Where does the data for As2O7Sr2 come from?
How It Compares
As2O7Sr2 represents a distinct phase within the strontium-arsenic-oxygen system. As a thermodynamically stable insulator, it serves as a foundational reference point for understanding the structural and electronic behavior of complex arsenates.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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